PSF CHEQ EXT XPLOR 1 !NTITLE 12 !NATOM 1 SYS 1 MOL C1 C3LTU 0.164400 12.0100 2 SYS 1 MOL O1 OSLTU -0.576300 16.0000 3 SYS 1 MOL S1 S6LTU 1.599700 32.0600 4 SYS 1 MOL O2 OLTU -0.666000 16.0000 5 SYS 1 MOL O3 OLTU -0.666000 16.0000 6 SYS 1 MOL C2 C3LTU -0.382800 12.0100 7 SYS 1 MOL H1 H1LTU 0.045900 1.0080 8 SYS 1 MOL H2 H1LTU 0.045900 1.0080 9 SYS 1 MOL H3 H1LTU 0.045900 1.0080 10 SYS 1 MOL H4 H1LTU 0.129900 1.0080 11 SYS 1 MOL H5 H1LTU 0.129900 1.0080 12 SYS 1 MOL H6 H1LTU 0.129900 1.0080 11 !NBOND: bonds 1 2 2 3 3 4 3 5 3 6 1 7 1 8 1 9 6 10 6 11 6 12 19 !NTHETA: angles 1 2 3 2 3 4 2 3 5 2 3 6 4 3 5 4 3 6 5 3 6 2 1 7 2 1 8 2 1 9 3 6 10 3 6 11 3 6 12 7 1 8 7 1 9 8 1 9 10 6 11 10 6 12 11 6 12 15 !NPHI: dihedrals 1 2 3 4 1 2 3 5 1 2 3 6 2 3 6 10 2 3 6 11 2 3 6 12 7 1 2 3 8 1 2 3 9 1 2 3 4 3 6 10 4 3 6 11 4 3 6 12 5 3 6 10 5 3 6 11 5 3 6 12 0 !NIMPHI: impropers 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 0 0 0 0 0 0 0 0 0 0 0 0 1 0 !NGRP NST2 0 2 0 1 !MOLNT 1 1 1 1 1 1 1 1 1 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms